Metesculetol
TL;DR: Metesculetol (CAS 52814-39-8) is a chemical compound with molecular formula C12H10O6 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid
Also Known As: Metesculetol, Metesculetolo, Metesculetolum, Permethol, Metesculetol [INN]
| Molecular Formula | C12H10O6 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.27042 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04774 |
| Heavy Atoms | 18 |
| Complexity | 670.0574 |
Chemical Identifiers
| CAS Number | 52814-39-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O |
Product Overview
Metesculetol (CAS 52814-39-8), with molecular formula C12H10O6 and molecular weight 250.05 g/mol. IUPAC: 2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid.
Chemical Property Profile of Metesculetol
Property Insights of Metesculetol
The XLogP value of 1.27042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metesculetol. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Metesculetol. Following Lipinski's Rule of Five, Metesculetol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metesculetol?
The CAS number of Metesculetol is 52814-39-8.
What is the molecular formula of Metesculetol?
The molecular formula of Metesculetol is C12H10O6.
What is the molecular weight of Metesculetol?
The molecular weight of Metesculetol is 250.05 g/mol.
Where can I buy Metesculetol?
You can request a quote for Metesculetol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metesculetol?
Yes, KEHONG BIO provides custom synthesis services for Metesculetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.